Task 38684479

Name test_869-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND4179_0
Workunit 31625993
Created 27 Oct 2026, 16:34:56 UTC
Sent 27 Oct 2026, 16:35:00 UTC
Report deadline 1 Nov 2026, 16:35:00 UTC
Received 27 Oct 2026, 18:09:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649517
Run time 36 min 11 sec
CPU time 33 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.72 MB
Peak swap size 9.87 GB
Peak disk usage 3.49 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:34:15 (52404): wrapper (7.9.26016): starting
18:34:15 (52404): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
18:34:16 (52404): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:34:16 (52404): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
19:09:17 (52404): C:/Windows/system32/cmd.exe exited; CPU time 1982.203125
19:09:17 (52404): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 63317735 bytes.
Dumping objects ->
{3835228} normal block at 0x000001DA0A10E2F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x000001DA0A10E6E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000001DA0A10EAD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835195} normal block at 0x000001DA0A10E670, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x000001DA0A10E130, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835153} normal block at 0x000001DA0A10AF10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835140} normal block at 0x000001DA08361160, 8 bytes long.
 Data: <  v &#218;   > 00 00 76 08 DA 01 00 00 
{3833987} normal block at 0x000001DA083608A0, 8 bytes long.
 Data: < &#242;4 &#218;   > 00 F2 34 08 DA 01 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x000001DA083584E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x000001DA08359F60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{309} normal block at 0x000001DA08369270, 16 bytes long.
 Data: <H&#151;6 &#218;           > 48 97 36 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000001DA08368B40, 16 bytes long.
 Data: < &#151;6 &#218;           > 20 97 36 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000001DA08362200, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{306} normal block at 0x000001DA08368AA0, 16 bytes long.
 Data: <&#248;&#150;6 &#218;           > F8 96 36 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001DA08368C30, 16 bytes long.
 Data: <&#208;&#150;6 &#218;           > D0 96 36 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001DA08369090, 16 bytes long.
 Data: <&#168;&#150;6 &#218;           > A8 96 36 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001DA08369130, 16 bytes long.
 Data: < &#150;6 &#218;           > 80 96 36 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001DA083667A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{301} normal block at 0x000001DA083691D0, 16 bytes long.
 Data: <&#216; 5 &#218;           > D8 14 35 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001DA08361A80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{299} normal block at 0x000001DA08368960, 16 bytes long.
 Data: <&#176; 5 &#218;           > B0 14 35 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001DA08369220, 16 bytes long.
 Data: <  5 &#218;           > 88 14 35 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001DA08368550, 16 bytes long.
 Data: <` 5 &#218;           > 60 14 35 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001DA08368500, 16 bytes long.
 Data: <8 5 &#218;           > 38 14 35 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001DA08369310, 16 bytes long.
 Data: <  5 &#218;           > 10 14 35 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001DA083686E0, 16 bytes long.
 Data: <&#232; 5 &#218;           > E8 13 35 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DA08361D20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{291} normal block at 0x000001DA08368CD0, 16 bytes long.
 Data: <&#192; 5 &#218;           > C0 13 35 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DA083513C0, 320 bytes long.
 Data: <&#208;&#140;6 &#218;     6 &#218;   > D0 8C 36 08 DA 01 00 00 20 1D 36 08 DA 01 00 00 
{289} normal block at 0x000001DA083684B0, 16 bytes long.
 Data: <`&#150;6 &#218;           > 60 96 36 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001DA08368D70, 16 bytes long.
 Data: <8&#150;6 &#218;           > 38 96 36 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DA083619C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{286} normal block at 0x000001DA08368730, 16 bytes long.
 Data: < &#150;6 &#218;           > 10 96 36 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001DA08361EA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{284} normal block at 0x000001DA08368EB0, 16 bytes long.
 Data: <X&#149;6 &#218;           > 58 95 36 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DA08369180, 16 bytes long.
 Data: <0&#149;6 &#218;           > 30 95 36 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DA08368460, 16 bytes long.
 Data: < &#149;6 &#218;           > 08 95 36 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DA083693B0, 16 bytes long.
 Data: <&#224;&#148;6 &#218;           > E0 94 36 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DA08368640, 16 bytes long.
 Data: <&#184;&#148;6 &#218;           > B8 94 36 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DA083685F0, 16 bytes long.
 Data: < &#148;6 &#218;           > 90 94 36 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DA08369360, 16 bytes long.
 Data: <&#240;h6 &#218;           > F0 68 36 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001DA083668F0, 40 bytes long.
 Data: <`&#147;6 &#218;    &#175;  &#218;   > 60 93 36 08 DA 01 00 00 10 AF 10 0A DA 01 00 00 
{275} normal block at 0x000001DA08368870, 16 bytes long.
 Data: <p&#148;6 &#218;           > 70 94 36 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DA08368E10, 16 bytes long.
 Data: <H&#148;6 &#218;           > 48 94 36 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001DA08361BA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{272} normal block at 0x000001DA08368C80, 16 bytes long.
 Data: < &#148;6 &#218;           > 20 94 36 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001DA08369420, 992 bytes long.
 Data: < &#140;6 &#218;   &#160; 6 &#218;   > 80 8C 36 08 DA 01 00 00 A0 1B 36 08 DA 01 00 00 
{107} normal block at 0x000001DA08361CC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{106} normal block at 0x000001DA08360DF0, 16 bytes long.
 Data: < k6 &#218;           > 90 6B 36 08 DA 01 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x000001DA08366B90, 40 bytes long.
 Data: <&#240; 6 &#218;   &#192; 6 &#218;   > F0 0D 36 08 DA 01 00 00 C0 1C 36 08 DA 01 00 00 
{84} normal block at 0x000001DA08360A80, 16 bytes long.
 Data: < &#234;&#221;&#211;&#246;           > 80 EA DD D3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001DA08360B20, 16 bytes long.
 Data: <@&#233;&#221;&#211;&#246;           > 40 E9 DD D3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001DA083612A0, 16 bytes long.
 Data: <&#248;W&#218;&#211;&#246;           > F8 57 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001DA08360530, 16 bytes long.
 Data: <&#216;W&#218;&#211;&#246;           > D8 57 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001DA08360670, 16 bytes long.
 Data: <P &#218;&#211;&#246;           > 50 04 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001DA083608F0, 16 bytes long.
 Data: <0 &#218;&#211;&#246;           > 30 04 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001DA08361250, 16 bytes long.
 Data: <&#224; &#218;&#211;&#246;           > E0 02 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001DA083611B0, 16 bytes long.
 Data: <  &#218;&#211;&#246;           > 10 04 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001DA08360E40, 16 bytes long.
 Data: <p &#218;&#211;&#246;           > 70 04 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001DA083607B0, 16 bytes long.
 Data: < &#192;&#216;&#211;&#246;           > 18 C0 D8 D3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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